N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide

C12H17NO3 — CID 97002318

IUPACN-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@](C)(CO)C1CC1
InChIInChI=1S/C12H17NO3/c1-8-10(5-6-16-8)11(15)13-12(2,7-14)9-3-4-9/h5-6,9,14H,3-4,7H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyIOKMCMUOCBHPHV-GFCCVEGCSA-N
MW223.27 g/mol
LogP1.48
Rot. Bonds4

About N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide

N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 97002318) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
PubChem CID97002318
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@](C)(CO)C1CC1
InChIInChI=1S/C12H17NO3/c1-8-10(5-6-16-8)11(15)13-12(2,7-14)9-3-4-9/h5-6,9,14H,3-4,7H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyIOKMCMUOCBHPHV-GFCCVEGCSA-N
XLogP1.48
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide
CID 97246294
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide
CID 84592217
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797
N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
CID 103946130
N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
CID 17060539
4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide
CID 86814287
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide
CID 110000339
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
CID 105060475
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
CID 81483390
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4245901
N-iodo-2-methylfuran-3-carboxamide
CID 170236265

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide (CID 97002318) is N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N[C@](C)(CO)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is IOKMCMUOCBHPHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-10(5-6-16-8)11(15)13-12(2,7-14)9-3-4-9/h5-6,9,14H,3-4,7H2,1-2H3,(H,13,15)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide?
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 97002318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).